SCHEMBL28820341

SCHEMBL28820341

COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)O/N=C/c2cccc(C)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29795090 1.00 MAPT (0.39) MAPTALDH1A1HPGDCASP3KMT2A
SCHEMBL28820358 0.91 MAPT (0.45) MAPTALDH1A1HPGDCASP3KMT2A
SCHEMBL28820338 0.91 CA12 (0.44)
SCHEMBL28820326 0.90 ALDH1A1 (0.41) MAPTALDH1A1HPGD
SCHEMBL28820342 0.90 MEN1 (0.37) MAPTKMT2A
SCHEMBL28820361 0.90 NPC1 (0.37) KMT2A
SCHEMBL28820346 0.88 POLB (0.39) ALDH1A1HPGDKMT2A
SCHEMBL28820352 0.87 CYP2C19 (0.40) MAPTALDH1A1HPGD
SCHEMBL28820331 0.87 CA12 (0.48) MAPTALDH1A1HPGDKMT2A
SCHEMBL28820321 0.86 MAPT (0.46) MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773276-B Pyrithiobac-sodium aldoxime ester herbicide and preparation method thereof 常州大学 2023-07-25 CN claimed
CN-114773276-A Pyriminosulfether aldoxime ester herbicide and preparation method thereof 常州大学 2022-07-22 CN claimed
CN-114773276-B Pyrithiobac-sodium aldoxime ester herbicide and preparation method thereof 常州大学 2023-07-25 CN disclosed
CN-114773276-A Pyriminosulfether aldoxime ester herbicide and preparation method thereof 常州大学 2022-07-22 CN disclosed